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PubChem can be accessed for free through a web user interface. Millions of compound structures and descriptive datasets can be freely downloaded via FTP. PubChem contains multiple substance descriptions and small molecules with fewer than 100 atoms and 1,000 bonds. More than 80 database vendors contribute to the growing PubChem database. [2]
WURCS GlycoCT PubChem CID G "Glycan Repository". 122194 Gmelin Gmelin database: Elsevier: inorganic and organometallic compounds closed access 1,500,000 G-SRS Global Substance Registration System: CAS PubChem ChEMBL INN UNII "G-SRS". 109,260 GMD Golm Metabolome Database GC/MS of metabolites "GMD". Guide to PHARMACOLOGY IUPHAR: drugs and targets
PubChem CID. 10554; UNII: ... Isobutyl chloride (1-chloro-2-methylpropane) is an organochlorine compound. It is a chlorinated derivative of isobutane. Synthesis
MCS is also used for screening drug like compounds by hitting molecules, which share common subgraph (substructure). [28] Chemicals in the databases may be clustered into groups of 'similar' molecules based on similarities. Both hierarchical and non-hierarchical clustering approaches can be applied to chemical entities with multiple attributes.
Perfluorohexane (C 6 F 14), or tetradecafluorohexane, is a fluorocarbon.It is a derivative of hexane in which all the hydrogen atoms are replaced by fluorine atoms. It is used in one formulation of the electronic cooling liquid/insulator Fluorinert for low-temperature applications due to its low boiling point of 56 °C and freezing point of −90 °C.
Perfluorohexanesulfonic acid (PFHxS) (conjugate base perfluorohexanesulfonate) is a synthetic chemical compound. It is one of many compounds collectively known as per- and polyfluoroalkyl substances (PFASs). It is an anionic fluorosurfactant and a persistent organic pollutant with bioaccumulative properties.
Tetramethylethylenediamine (TMEDA or TEMED) is a chemical compound with the formula (CH 3) 2 NCH 2 CH 2 N(CH 3) 2. This species is derived from ethylenediamine by replacement of the four amine hydrogens with four methyl groups. It is a colorless liquid, although old samples often appear yellow. Its odor is similar to that of rotting fish. [4]
PubChem CID. 8101; RTECS number: MO0925000; UNII: ... 1-Bromohexane is organobromine compound with formula Br(CH 2) 5 CH 3. It is a colorless liquid. Synthesis and ...